AG00IDCD

84-26-4 | Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-

AG00IDCD

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CAS Number	84-26-4
Catalog Number	AG00IDCD(AGN-PC-0JL6TH)
Chemical Name	Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-
IUPAC Name	3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
InChI	InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
InChI Key	ACVGWSKVRYFWRP-UHFFFAOYSA-N
MDL Number	MFCD00210551
Molecular Formula	C18H13N3O
Molecular Weight	287.3153
NSC Number	258317
SMILES	O=c1n2c(c3c(CC2)c2c([nH]3)cccc2)nc2c1cccc2
UNII	8XZV289PRY
Synonyms	rutaecarpine, rutecarpine, Rutaecarpine, Rutecarpine, 84-26-4, Rutacarpine, Rutaecarpin, Rhetine, C18H13N3O, UNII-8XZV289PRY, 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, NSC 258317, 8XZV289PRY, CHEMBL85139, CHEBI:8922, Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-, MFCD00210551, Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro-, SMR001230721, SR-01000076104, Rutaecarpine,(S), Rutecarpine (8CI), Rutaecarpine(Rutecarpine), Lopac-R-3277, Rutaecarpine (Rutecarpine), UPCMLD-DP040, Lopac0_001091, Oprea1_313284, cid_65752, MLS002153304, MLS006011796, SCHEMBL288507, AC1L23W8, Rutaecarpine, >98% (HPLC), UPCMLD-DP040:001, DTXSID00232884, ACVGWSKVRYFWRP-UHFFFAOYSA-N, HMS2233M24, HMS3263K04, HMS3374B10, HMS3656C09, ZINC898237, ALBB-028246, BCP21309, HY-N0147, Tox21_501091, BBL028393, BDBM50131046, NSC258317, s2349, STL146385, AKOS005720935, CCG-205168, CS-6160, GS-3618, LP01091, MCULE-8799347749, NSC-258317, SMP2_000103, NCGC00015892-01, NCGC00015892-02, NCGC00015892-03, NCGC00015892-04, NCGC00015892-05, NCGC00015892-06, NCGC00015892-07, NCGC00015892-08, NCGC00094364-01, NCGC00094364-03, NCGC00094364-04, NCGC00261776-01, AK168161, AN-42276, LS-83901, NCI60_002069, 1,1'-Hexamethylenebis (3,3-dimethylurea), AB0019845, EU-0101091, FT-0653229, N1344, R0102, SW220226-1, V0371, C09238, J10443, R 3277, 210R551, I06-1291, Q-100850, SR-01000076104-2, SR-01000076104-6, 7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one, Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-, 8,13-Dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one, 8,13-Dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13-dihydro-, 6,7-[Imino(1,2-phenylene)]-8,9-dihydro-11H-pyrido[2,1-b]quinazoline-11-one, Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- (9CI), 3,13,21-triazapentacyclo[11.8.0.0(2),(1).0,.0(1),(2)]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 3,13,21-triazapentacyclo[11.8.0.0;{2,10}.0;{4,9}.0;{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one, 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, InChI=1/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H, [?]one, CID65752, C18-H13-N3-O, ACN-035653, A10814, C028632, C560377, 20575-76-2, Rutaecarpine, 98%, from Evodia rutaecarpa (Juss.) Benth. - 100MG 100mg,

Complexity	517
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.106g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.322g/mol
Monoisotopic Mass	287.106g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	48.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number